CID 10976116

166251-34-9

Structural Information

Molecular Formula
C10H11FO2
SMILES
CC1=C(C=CC(=C1)F)CCC(=O)O
InChI
InChI=1S/C10H11FO2/c1-7-6-9(11)4-2-8(7)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChIKey
RQWSZWRPIFYZPE-UHFFFAOYSA-N
Compound name
3-(4-fluoro-2-methylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

182.07431 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.081586 135.8
[M+Na]+ 205.063528 144.3
[M-H]- 181.067034 137.3
[M+NH4]+ 200.108133 155.5
[M+K]+ 221.037468 141.8
[M+H-H2O]+ 165.071570 129.7
[M+HCOO]- 227.072511 157.2
[M+CH3COO]- 241.088161 180.7
[M+Na-2H]- 203.048976 139.9
[M]+ 182.07376142 135.4
[M]- 182.07485858 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe